cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 114092685

IUPACcis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)NC(=O)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-13(2,3)15-10(16)7-14-11(17)8-5-4-6-9(8)12(18)19/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)/t8-,9+/m1/s1
InChIKeyGYMQLLRQTITXQA-BDAKNGLRSA-N
MW270.33 g/mol
LogP0.52
Rot. Bonds4

About cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092685) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092685
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namecis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)NC(=O)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-13(2,3)15-10(16)7-14-11(17)8-5-4-6-9(8)12(18)19/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)/t8-,9+/m1/s1
InChIKeyGYMQLLRQTITXQA-BDAKNGLRSA-N
XLogP0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 113361167
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692657
cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 114091717
N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388327
2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103979063
2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978319
cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092786
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724
2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 114092685) is cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid is CC(C)(C)NC(=O)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is GYMQLLRQTITXQA-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,3)15-10(16)7-14-11(17)8-5-4-6-9(8)12(18)19/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).